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Recent Events and Information of Importance
 to the Wang Research Group (WOLFgang)

Conference Participation and Presentations

(01)  The Art of Converging the Self-Consistent Field Calculations, Y. A. Wang, invited talk presented at the CECAM Workshop on Orbital-Free Methods, Paris, France, 5-7 September 2012, supported by the Centre Européen de Calcul Atomique et Moléculaire (European Center for Atomic and Molecular Calculations).

(02)  LIST for SCF Convergence Acceleration and IPOD for Partial Charge Analysis, Y. A. Wang, invited talk presented at the Seventeenth International Workshop on Quantum Systems in Chemistry and Physics (QSCP-XVII), Turku, Finland, 19-25 August 2012.

(03)  LIST for SCF Convergence Acceleration and IPOD for Partial Charge Analysis, Y. A. Wang, invited talk presented at the Symposium of “Diversity and Challenges of Inorganic Molecular and Materials Modelling,” the 95th Canadian Chemistry Conference and Exhibition, Calgary, Alberta, Canada, 26-30 May 2012.

(04)  Linear-expansion Shooting Techniques (LIST) for Accelerating SCF Convergence, Y. A. Wang, invited talk presented at the Symposium of “Electronic Structure Theory: Addressing Existing Challenges and Adding New Ones,” the 94th Canadian Chemistry Conference and Exhibition, Montréal, Quebec, Canada, 5-9 June 2011.

(05)  Functional Derivatives and Differentiability in Density-Functional Theory, Y. A. Wang, invited talk presented at the BIRS Workshop of “Density Functional Theory: Fundamentals and Applications in Condensed Matter Physics,” the Banff International Research Station, Alberta, Canada, 23-28 January 2011.

(06)  Linear-expansion Shooting Technique for Accelerating Self-consistent Field Convergence, Y. K. Chen and Y. A. Wang, invited talk presented at the BIRS Workshop of “Density Functional Theory: Fundamentals and Applications in Condensed Matter Physics,” the Banff International Research Station, Alberta, Canada, 23-28 January 2011.

(07)  Member of the International Scientific Committee, the Sixteenth International Workshop on Quantum Systems in Chemistry and Physics (QSCP-XVI), Kanazawa, Japan, 11-17 September 2011.

(08)  Member of the International Scientific Committee, the Seventh Congress of the International Society for Theoretical Chemical Physics (ISTCP-VII), Tokyo, Japan, 2-8 September 2011.

(09)  Co-Organizer, Banff Workshop on “Density Functional Theory: Fundamentals and Applications in Condensed Matter Physics,” the Banff International Research Station, Banff, Alberta, Canada, 23-28 January 2011.

Recently Authored Works

(01)  "First-Principles Computational Studies of the Torsional Potential Energy Surface of the sec-Butyl Radical," Y. K. Chen and Y. A. Wang, Can. J. Chem. 89, 1469-1476 (2011).[PDF]

(02)  "Theoretical Studies of of Aum and PtAun Clusters and Their N2 and O2 Adsorption Complexes," Y.  K. Chen, W. Q. Tian, and Y. A. Wang, Int. J. Quantum Chem. 112, 65-77 (2011).[PDF]

(03)  "LISTb: a Better Direct Approach to LIST," Y. K. Chen and Y. A. Wang, J. Chem. Theory Comput. 7, 3045-3048 (2011).[PDF] (Letter)

(04)  "Defected and Substitutionally Doped Nanotubes: Applications in Biosystems, Sensors, Nanoelectronics, and Catalysis," C. S. Yeung, Y. K. Chen, and Y. A. Wang, in Carbon Nanotubes - Growth and Applications, edited by M. Naraghi (InTech, Rijeka, Croatia, 2011), Chap. 5, pp. 97-132.[PDF]

(05)  "Linear-Expansion Shooting Techniques for Accelerating Self-Consistent Field Convergence," Y. A. Wang, C. Y. Yam, Y. K. Chen, and G. H. Chen, J. Chem. Phys. 134, 241103 (2011).[PDF] (Communication) Top 11 Most Downloaded Article in JCP in July 2011  (http://jcp.aip.org/features/most_downloaded?month=7&year=2011)

(06)  "Theoretical Studies of Transition-Metal-Doped Single-Walled Carbon Nanotubes," Y. K. Chen, L. V. Liu, W. Q. Tian, and Y. A. Wang, J. Phys. Chem. C 115, 9306-9311 (2011).[PDF]

(07)  "Lewis Acidity of Pt-Doped Buckybowls, Fullerenes, and Single-Walled Carbon Nanotubes," C. S. Yeung and Y. A. Wang, J. Phys. Chem. C 115, 7153-7163 (2011).[PDF]

(08)  "Isotope Effects and the Temperature Dependences of the Hyperfine Coupling Constants of Muoniated sec-Butyl Radicals in Condensed Phases," D. G. Flemming, M. D. Bridges, D. J. Arseneau, Y. K. Chen, and Y. A. Wang, J. Phys. Chem. A 115, 2778-2793 (2011).[PDF]

(09)  "Theoretical Calculations of Hyperfine Coupling Constants for Muoniated Butyl Radicals," Y. K. Chen, D. G. Flemming, and Y. A. Wang, J. Phys. Chem. A 115, 2765-2777 (2011).[PDF]

Awards, Distinctions, and Services

(14)  J. Cui, Four-Year Fellowship, UBC, 2009-2013.

(13)  P. Xiang, Ed Shuter Scholarship, UBC, 2008-2009.

(12)  Y. A. Wang, The Wiley Young Investigator Award for 2007 (during the 47th Sanibel Symposium on Atomic, Molecular, Biophysical, and Condensed Matter Theory).  

(11)  Y. A. Wang, Member of the Editorial Board of the Journal of Computational and Theoretical Nanoscience, since 2006.

(10)  S. S. Hepperle, NSERC Postgraduate Scholarship PGS-D3 (2006-2009), Isaak Walton Killam Doctoral Fellowship (2006-2008), NSERC Postgraduate Scholarship PGS-M (2005-2006), Gladys Estella Laird Fellowship (2004-2005), First Prize for Student Poster Presentations in Physical, Theoretical and Computational Chemistry at the 87th Canadian Chemistry Conference and Exhibition in London, Ontario, Canada, 29 May – 1 June 2004, and First Prize for Graduate Student Oral Presentations in Physical, Theoretical and Computational Chemistry at the 91st Canadian Chemistry Conference and Exhibition in Edmonton, Alberta, Canada, 24-28 May 2008.

(09)  C. S. H. Yeung, NSERC Undergraduate Summer Research Award (USRA), 2006 and NSERC Postgraduate Scholarship PGS-M, 2006-2007.

(08)  Y. A. Wang, Canadian Young Observer to the International Union of Pure and Applied Chemistry (IUPAC), at the 40th IUPAC Congress, Beijing, China, 12-15 August 2005.

(07)  Y. A. Wang, National Representative for Canada to the International Society for Theoretical Chemical Physics (ISTCP), 2005.

(06)  Y. A. Wang, The Canadian National Committee for the International Union of Pure and Applied Chemistry (CNC-IUPAC) Travel Award, 2005.

(05)  Y. A. Zhang, Second Student Prize for Oral Presentations at the 88th Canadian Chemistry Conference and Exhibition, 2005.

(04)  L. V. Liu, Second Student Prize for Poster Presentations at the 88th Canadian Chemistry Conference and Exhibition, 2005, Gladys Estella Laird Fellowship, 2003-2005, and Charles A. McDowell Fellowship, 2003-2004.

(03)  W. Q. Tian, JSPS Postdoctoral Fellowship from the Japan Society for the Promotion of Science (JSPS), 2004.

(02)  Y. A. Wang, Peter Wall Early Career Scholar Award, Peter Wall Institute for Advanced Studies, University of British Columbia, 2003.

(01)  Y. A. Wang, Adjunct Professor of Theoretical Chemistry (Honorary Appointment), Institute for Computational Science and Engineering, Ocean University of China, Qingdao, China, 2002-2005.

Group Member Updates

(1)   We warmly welcome Mr. Hans Yang, an undergraduate chemistry major student at UBC, to join our group to do research from the mid of August, 2011.

(2)   We warmly welcome Prof. Baojing Zhou to revisit us for two months (July and Auguest) before he returns to China to take the newly appointed position: Associate Professor of Chemistry in Nanjing University of Science and Technology (China). We wish him the best luck in his life and career.

(3)   Congratulations to Dr. Steven Hepperle, who successfully defended his thesis on June 28, 2011. During his seven years in our group, Steve has won numerous awards, including the First Prize for Student Poster Presentations in Physical, Theoretical and Computational Chemistry at the 87th Canadian Chemistry Conference and Exhibition (2004), the only First Prize for Graduate Student Oral Presentations in Physical, Theoretical and Computational Chemistry at the 91st Canadian Chemistry Conference and Exhibition (2008), NSERC Postgraduate Scholarships PGS-M (2005-2006) and PGS-D3 (2006-2009), Isaak Walton Killam Doctoral Fellowship (2006-2008), Gladys Estella Laird Fellowship at UBC (2004-2005). We wish him all the best.

Last reload: June 6, 2012